2,4-Dimethoxybenzoic acid

Overview IFRA Request a quote

  • Identifiers

    CAS number
    91-52-1

    Molecular formula
    C9H10O4

    SMILES
    COC1=CC(=C(C=C1)C(=O)O)OC

    Safety labels

    Irritant
    Irritant

  • Odor profile

    Fragrance
    Sweet 66.31%
    Phenolic 52.16%
    Vanilla 47.39%
    Floral 39.62%
    Spicy 38.12%
    Balsamic 36.67%
    Aromatic 36.66%
    Powdery 34.72%
    Herbal 32.29%
    Fruity 31.22%

     

    Flavor
    Sweet 35.67%
    Faint 29.88%
    Odorless 29.81%
    Phenolic 28.26%
    Powdery 27.61%
    Balsam 27.39%
    Mild 24.82%
    Balsamic 23.32%
    Wintergreen 23.19%
    Fruity 23.0%

     

    Odor impact est.
    Low

  • Properties

    XLogP3-AA
    1.6

    pKa est.
    6.68 (neutral)

    Molecular weight
    182.17 g/mol

    Vapor pressure est.

    • hPa @ 20°C
    • hPa @ 25°C

    Evaporation rate
    Ultra slow

    Boiling point est.
    340°C

    Flash point

    • 144.39 ˚C est.

  • Synonyms

    • 2,4-DIMETHOXYBENZOIC ACID
    • 91-52-1
    • Benzoic acid, 2,4-dimethoxy-
    • 5699CY3NQJ
    • NSC-6316
    • DTXSID1059026
    • 24-Dimethoxybenzoate
    • 2,4-dimethoxybenzoate
    • RefChem:82483
    • 24-Dimethoxybenzoic acid
    • DTXCID5048718
    • 202-074-1
    • GPVDHNVGGIAOQT-UHFFFAOYSA-N
    • InChI=1/C9H10O4/c1-12-6-3-4-7(9(10)11)8(5-6)13-2/h3-5H,1-2H3,(H,10,11
    • MFCD00002434
    • 2.4-dimethoxybenzoic acid
    • NSC 6316
    • 2,4-dimethoxy-benzoic acid
    • 2,4-Dimethoxy benzoic acid
    • 2,4-dimethoxybenzoicacid
    • NSC6316
    • EINECS 202-074-1
    • AI3-27498
    • 2,4 dimethoxybenzoic acid
    • 2, 4-dimethoxybenzoic acid
    • 2,4-di-methoxybenzoic acid
    • UNII-5699CY3NQJ
    • 2, 4-dimethoxy benzoic acid
    • SCHEMBL154613
    • CHEMBL463921
    • SCHEMBL4900211
    • SCHEMBL8419672
    • SCHEMBL29399711
    • 4-methoxy-2-methoxy benzoic acid
    • 2,4-Dimethoxybenzoic acid, 98%
    • beta-Resorcylic acid dimethyl ether
    • BB_SC-09427
    • AC7813
    • BBL027381
    • SBB063086
    • STL169141
    • AKOS000119531
    • BS-3990
    • CS-W019954
    • EBC-152035
    • FD71307
    • AC-23686
    • SY006197
    • DB-019964
    • D1675
    • NS00039400
    • ST50331797
    • EN300-20039
    • 91D521
    • AK-087/42718128
    • F078093
    • Q63393546
    • F0850-6813
    • Z104476538
    • 91-52-1

  • Applications

    2,4-Dimethoxybenzoic acid (CAS 91-52-1) is mainly used as a synthetic intermediate in organic synthesis. In the pharmaceutical sector, it serves as a building block for drug-like intermediates and heterocyclic systems. In the agrochemical field, it is evaluated as a precursor for pesticide or herbicide candidates. In fragrance chemistry, it functions as a precursor to aroma compounds and perfumery ingredients. In the polymers, coatings and inks industries, it is used as a starting material to prepare functionalized benzoic acid derivatives for specialty monomers or additives. In cosmetics and personal care, it may be used to synthesize cosmetic ingredients or fragrance components.

    gpt-5-nano

  • Solubility @25˚C

    Solvent Solubility (g/L)
    ethanol 54.63
    methanol 82.69
    isopropanol 29.47
    water 0.71
    ethyl acetate 47.78
    n-propanol 33.81
    acetone 98.32
    n-butanol 28.28
    acetonitrile 52.94
    DMF 394.69
    toluene 9.02
    isobutanol 20.53
    1,4-dioxane 103.33
    methyl acetate 63.0
    THF 216.52
    2-butanone 51.96
    n-pentanol 22.48
    sec-butanol 20.38
    n-hexane 1.39
    ethylene glycol 59.2
    NMP 258.2
    cyclohexane 1.89
    DMSO 680.72
    n-butyl acetate 28.89
    n-octanol 13.14
    chloroform 46.73
    n-propyl acetate 30.33
    acetic acid 51.6
    dichloromethane 69.34
    cyclohexanone 72.65
    propylene glycol 34.96
    isopropyl acetate 25.17
    DMAc 277.93
    2-ethoxyethanol 78.72
    isopentanol 24.36
    n-heptane 1.67
    ethyl formate 49.45
    1,2-dichloroethane 67.19
    n-hexanol 24.4
    2-methoxyethanol 175.08
    isobutyl acetate 15.67
    tetrachloromethane 10.39
    n-pentyl acetate 14.62
    transcutol 99.38
    n-heptanol 12.17
    ethylbenzene 8.95
    MIBK 28.23
    2-propoxyethanol 72.07
    tert-butanol 57.44
    MTBE 25.29
    2-butoxyethanol 31.9
    propionic acid 42.27
    o-xylene 12.99
    formic acid 68.13
    diethyl ether 28.61
    m-xylene 10.86
    p-xylene 11.0
    chlorobenzene 19.07
    dimethyl carbonate 53.55
    n-octane 0.64
    formamide 136.06
    cyclopentanone 130.39
    2-pentanone 44.95
    anisole 36.54
    cyclopentyl methyl ether 55.87
    gamma-butyrolactone 166.96
    1-methoxy-2-propanol 96.04
    pyridine 44.89
    3-pentanone 34.81
    furfural 129.08
    n-dodecane 0.81
    diethylene glycol 95.33
    diisopropyl ether 7.85
    tert-amyl alcohol 35.11
    acetylacetone 70.95
    n-hexadecane 0.94
    acetophenone 39.96
    methyl propionate 63.7
    isopentyl acetate 24.85
    trichloroethylene 92.58
    n-nonanol 12.47
    cyclohexanol 28.54
    benzyl alcohol 32.01
    2-ethylhexanol 15.89
    isooctanol 10.31
    dipropyl ether 17.44
    1,2-dichlorobenzene 24.82
    ethyl lactate 30.77
    propylene carbonate 65.64
    n-methylformamide 165.41
    2-pentanol 15.86
    n-pentane 1.08
    1-propoxy-2-propanol 43.13
    1-methoxy-2-propyl acetate 44.57
    2-(2-methoxypropoxy) propanol 40.14
    mesitylene 8.69
    ε-caprolactone 61.82
    p-cymene 9.18
    epichlorohydrin 163.16
    1,1,1-trichloroethane 38.33
    2-aminoethanol 59.34
    morpholine-4-carbaldehyde 166.9
    sulfolane 260.37
    2,2,4-trimethylpentane 1.34
    2-methyltetrahydrofuran 78.22
    n-hexyl acetate 22.54
    isooctane 0.98
    2-(2-butoxyethoxy)ethanol 44.68
    sec-butyl acetate 18.01
    tert-butyl acetate 34.56
    decalin 2.32
    glycerin 80.35
    diglyme 93.66
    acrylic acid 49.51
    isopropyl myristate 10.24
    n-butyric acid 41.54
    acetyl acetate 31.57
    di(2-ethylhexyl) phthalate 14.82
    ethyl propionate 32.62
    nitromethane 165.54
    1,2-diethoxyethane 25.58
    benzonitrile 28.75
    trioctyl phosphate 11.37
    1-bromopropane 20.51
    gamma-valerolactone 142.76
    n-decanol 9.54
    triethyl phosphate 23.13
    4-methyl-2-pentanol 11.78
    propionitrile 34.21
    vinylene carbonate 59.73
    1,1,2-trichlorotrifluoroethane 129.49
    DMS 34.81
    cumene 8.77
    2-octanol 8.07
    2-hexanone 32.11
    octyl acetate 13.45
    limonene 12.81
    1,2-dimethoxyethane 127.31
    ethyl orthosilicate 18.76
    tributyl phosphate 13.94
    diacetone alcohol 59.26
    N,N-dimethylaniline 30.67
    acrylonitrile 53.58
    aniline 28.31
    1,3-propanediol 67.97
    bromobenzene 16.22
    dibromomethane 38.83
    1,1,2,2-tetrachloroethane 77.7
    2-methyl-cyclohexyl acetate 25.2
    tetrabutyl urea 21.3
    diisobutyl methanol 10.57
    2-phenylethanol 29.29
    styrene 9.44
    dioctyl adipate 19.18
    dimethyl sulfate 124.63
    ethyl butyrate 26.93
    methyl lactate 58.26
    butyl lactate 19.56
    diethyl carbonate 23.64
    propanediol butyl ether 32.49
    triethyl orthoformate 21.9
    p-tert-butyltoluene 9.11
    methyl 4-tert-butylbenzoate 35.3
    morpholine 119.45
    tert-butylamine 23.53
    n-dodecanol 7.16
    dimethoxymethane 158.85
    ethylene carbonate 46.63
    cyrene 59.77
    2-ethoxyethyl acetate 25.95
    2-ethylhexyl acetate 19.73
    1,2,4-trichlorobenzene 30.67
    4-methylpyridine 45.38
    dibutyl ether 11.06
    2,6-dimethyl-4-heptanol 10.57
    DEF 81.72
    dimethyl isosorbide 74.08
    tetrachloroethylene 51.15
    eugenol 34.03
    triacetin 29.63
    span 80 27.07
    1,4-butanediol 28.09
    1,1-dichloroethane 36.71
    2-methyl-1-pentanol 19.89
    methyl formate 133.21
    2-methyl-1-butanol 20.85
    n-decane 1.27
    butyronitrile 31.68
    3,7-dimethyl-1-octanol 13.26
    1-chlorooctane 6.92
    1-chlorotetradecane 3.01
    n-nonane 1.07
    undecane 1.0
    tert-butylcyclohexane 2.17
    cyclooctane 0.91
    cyclopentanol 41.83
    tetrahydropyran 50.16
    tert-amyl methyl ether 22.94
    2,5,8-trioxanonane 68.97
    1-hexene 5.7
    2-isopropoxyethanol 42.3
    2,2,2-trifluoroethanol 39.79
    methyl butyrate 44.51

    Scent© AI

1 4

IFRA standard 51

Recommendation
No restriction
Maximum acceptable concentrations in the finished product (%)
Category 1
Products applied to the lips
 No restriction Category 7A
Rinse-off products applied to the hair with some hand contact
 No restriction
Category 2
Products applied to the axillae
 No restriction Category 7B
Leave-on products applied to the hair with some hand contact
 No restriction
Category 3
Products applied to the face/body using fingertips
 No restriction Category 8
Products with significant anogenital exposure
 No restriction
Category 4
Products related to fine fragrance
 No restriction Category 9
Products with body and hand exposure, primarily rinse off
 No restriction
Category 5A
Body lotion products applied to the body using the hands (palms), primarily leave on
 No restriction Category 10A
Household care products with mostly hand contact
 No restriction
Category 5B
Face moisturizer products applied to the face using the hands (palms), primarily leave on
 No restriction Category 10B
Household care products with mostly hand contact, including aerosol/spray products (with potential leave-on skin contact)
 No restriction
Category 5C
Hand cream products applied to the hands using the hands (palms), primarily leave on
 No restriction Category 11A
Products with intended skin contact but minimal transfer of fragrance to skin from inert substrate without UV exposure
 No restriction
Category 5D
Baby Creams, baby Oils and baby talc
 No restriction Category 11B
Products with intended skin contact but minimal transfer of fragrance to skin from inert substrate with potential UV exposure
 No restriction
Category 6
Products with oral and lip exposure
 No restriction Category 12
Products not intended for direct skin contact, minimal or insignificant transfer to skin
 No restriction